Sugi Predict

Sugi Predict / Compounds / SCHEMBL23929990

SCHEMBL23929990

SCHEMBL23929990

COC(=O)c1ccc([N+](=O)[O-])c(OC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.53
▸ VCAM1 P19320 1/20 0.51
▸ PDE5A O76074 1/20 0.51
▸ AR P10275 1/20 0.50
▸ PELP1 Q8IZL8 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ HCAR3 P49019 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30138067 1.00 HPGD (0.53) HPGDVCAM1PDE5AARPELP1
SCHEMBL7358125 0.95 PDE5A (0.57) HPGDVCAM1PDE5AARPELP1
SCHEMBL7355219 0.92 PDE4D (0.49) HPGDVCAM1PDE5AARPELP1
SCHEMBL17101115 0.89 ALDH1A1 (0.56) HPGDVCAM1PDE5AALDH1A1NPSR1
SCHEMBL29189681 0.88 VCAM1 (0.48) HPGDVCAM1PDE5AARPELP1
SCHEMBL19899988 0.88 PDE4D (0.51) HPGDVCAM1PDE5AARPELP1
SCHEMBL3795836 0.88 PDE4D (0.51) HPGDVCAM1PDE5AARPELP1
SCHEMBL20817334 0.88 PDE4D (0.51) HPGDVCAM1PDE5AARPELP1
SCHEMBL25484985 0.86 PDE5A (0.43) HPGDVCAM1PDE5AARPELP1
SCHEMBL23958655 0.85 CASP6 (0.61) PDE5ALMNAMAPTHCAR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881681-A Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use 赛诺菲 2024-04-12 — — CN disclosed
WO-2024035194-A1 NOVEL HETEROARYL-SUBSTITUTED DERIVATIVE AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASE, CANCER, AND INFLAMMATORY DISEASE COMPRISING SAME 환인제약 주식회사 2024-02-15 — — WO disclosed
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 — — EP disclosed
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 — — CN disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE HPGD 2976/4885VCAM1 687/4885PDE5A 2272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.